UCSF

ZINC53425891

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 Yes

Popular Name: (1R)-N-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]-1-(2-thienyl)et (1R)-N-[2-[(4aS,7aS)-3,4a,5,6,7,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.71 5.06 -40.06 2 3 1 29 281.445 5 ↓
Mid Mid (pH 6-8) 2.71 3.88 -3.65 1 3 0 24 280.437 5 ↓
Lo Low (pH 4.5-6) 2.71 6.11 -36.46 2 3 1 26 281.445 5 ↓
Lo Low (pH 4.5-6) 2.71 7.29 -119.61 3 3 2 30 282.453 5 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.